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	hartrees
Energy at 0K	-185.666484
Energy at 298.15K	-185.669883
HF Energy	-185.666484
Nuclear repulsion energy	72.447880

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3763	3592	63.93
2	A	3522	3361	11.82
3	A	1669	1592	134.72
4	A	1599	1526	122.74
5	A	1252	1195	117.17
6	A	1140	1088	45.46
7	A	740	707	5.56
8	A	630	601	1.79
9	A	172	164	245.47

Atom	x (Å)	y (Å)	z (Å)
O1	-1.116	0.220	0.000
N2	-0.143	-0.506	-0.000
N3	1.010	0.146	0.000
H4	1.006	1.162	-0.000
H5	1.852	-0.403	-0.000

	O1	N2	N3	H4	H5
O1		1.2141	2.1270	2.3214	3.0329
N2	1.2141		1.3244	2.0252	1.9977
N3	2.1270	1.3244		1.0156	1.0059
H4	2.3214	2.0252	1.0156		1.7794
H5	3.0329	1.9977	1.0059	1.7794

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	N2	N3	113.763		N2	N3	H4	119.285
N2	N3	H5	117.370		H4	N3	H5	123.345

All results from a given calculation for NH₂NO (Nitrosamide)

using model chemistry: HSEh1PBE/6-31G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	O	-0.361
2	N	0.157
3	N	-0.391
4	H	0.286
5	H	0.309

	x	y	z	Total
	3.617	0.756	-0.001	3.695
CHELPG
AIM
ESP

	x	y	z
x	4.241	-0.006	0.000
y	-0.006	2.460	0.000
z	0.000	0.000	1.284

<r²>	35.615
(<r²>)^1/2	5.968

All results from a given calculation for NH2NO (Nitrosamide)

using model chemistry: HSEh1PBE/6-31G**

States and conformations

All results from a given calculation for NH₂NO (Nitrosamide)